3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide

C10H16F2N4O — CID 146680558

IUPAC3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn(CC(F)F)nc1N
InChIInChI=1S/C10H16F2N4O/c1-3-6(2)14-10(17)7-4-16(5-8(11)12)15-9(7)13/h4,6,8H,3,5H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyGUTCAWMLDROVMN-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.26
Rot. Bonds5

About 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide

3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide (PubChem CID 146680558) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
PubChem CID146680558
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn(CC(F)F)nc1N
InChIInChI=1S/C10H16F2N4O/c1-3-6(2)14-10(17)7-4-16(5-8(11)12)15-9(7)13/h4,6,8H,3,5H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyGUTCAWMLDROVMN-UHFFFAOYSA-N
XLogP1.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680579
3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680555
3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
CID 146680638
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride
CID 171156670
N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide
CID 150062756
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
5-amino-N-butan-2-yl-4-fluoro-2-nitrobenzamide
CID 55043102

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide (CID 146680558) is 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide is CCC(C)NC(=O)c1cn(CC(F)F)nc1N.
What is the InChIKey of 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
The InChIKey is GUTCAWMLDROVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-3-6(2)14-10(17)7-4-16(5-8(11)12)15-9(7)13/h4,6,8H,3,5H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146680558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).